3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide

C16H16Br2N2O3S — CID 26086022

IUPAC3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C16H16Br2N2O3S/c1-11-2-5-13(6-3-11)20-16(21)8-9-19-24(22,23)15-10-12(17)4-7-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyXPQTUGOCEOYAPL-UHFFFAOYSA-N
MW476.19 g/mol
LogP3.83
Rot. Bonds6

About 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide

3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide (PubChem CID 26086022) has the molecular formula C16H16Br2N2O3S and a molecular weight of 476.19 g/mol. Its IUPAC name is 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
PubChem CID26086022
Molecular FormulaC16H16Br2N2O3S
Molecular Weight476.19 g/mol
Exact Mass473.92
IUPAC Name3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C16H16Br2N2O3S/c1-11-2-5-13(6-3-11)20-16(21)8-9-19-24(22,23)15-10-12(17)4-7-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyXPQTUGOCEOYAPL-UHFFFAOYSA-N
XLogP3.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.19
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 47075434

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide (CID 26086022) is 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is XPQTUGOCEOYAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O3S/c1-11-2-5-13(6-3-11)20-16(21)8-9-19-24(22,23)15-10-12(17)4-7-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 476.19 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 26086022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).